2,5-Di-tert-butylhydroquinone
Product Information
Molecular Formula
C14H22O2
Molecular Weight
222.3
Description
A selective inhibitor of endoplasmic reticulum Ca2+-ATPase.
Synonyms
2,5-Di-tert-butylbenzene-1,4-diol; DTBHQ; Dibug; Santovar O; 2,5-Di-t-butylhydroquinone
IUPAC Name
2,5-ditert-butylbenzene-1,4-diol
SMILES
CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
InChI
InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChI Key
JZODKRWQWUWGCD-UHFFFAOYSA-N
Boiling Point
321 °C
Melting Point
213-214 °C
Flash Point
216°C
Purity
≥ 98 %. (HPLC)
Density
1.012 g/cm3
Solubility
Soluble in methanol and organic solvents
Appearance
White solid
Application
Antioxidants
Storage
Store at room temperature.
Refractive Index
1.52
Stability
Stable. Incompatible with oxidizing agents.
LogP
3.69280
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P272, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
4.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
222.161979940 g/mol
Monoisotopic Mass
222.161979940 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
208
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114181370-A | Modified urethane acrylate photocuring oligomer and preparation method thereof | 2021-12-28 |
| CN-114032041-A | Low-temperature hot-melt photocuring packaging adhesive film and preparation method and application thereof | 2021-12-17 |
| CN-114031759-A | Unsaturated fatty diacid-based polyester polyol and preparation method thereof | 2021-12-10 |
| CN-114133543-A | Unsaturated fatty diacid-based polyester polyol | 2021-12-10 |
| CN-114181382-A | Unsaturated fatty diacid-based polyester polyol and synthetic method thereof | 2021-12-10 |
| CN-114057954-A | SMC material easy to cut | 2021-12-08 |
| CN-114105756-A | Synthetic method of lubricating oil antirust additive | 2021-12-07 |
| CN-114133899-A | Epoxy-acrylic hybrid bi-component hemming adhesive for vehicles, and preparation method and application method thereof | 2021-12-07 |
| CN-114014765-A | Method and catalyst for preparing 1-amino-2-propanol | 2021-12-02 |
| JP-2022043096-A | Resin composition, method for manufacturing cured relief pattern, and semiconductor device | 2021-12-01 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 33049310 | 2021-04-01 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
| 22458924 | 2012-10-01 | Effect of methoxychlor on Ca(2+) movement and viability in MDCK renal tubular cells | Basic & clinical pharmacology & toxicology |
| 22845469 | 2012-10-01 | Effect of diindolylmethane on Ca2+ homeostasis and viability in PC3 human prostate cancer cells | Journal of receptor and signal transduction research |
| 22892582 | 2012-09-28 | Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin--a theoretical study | Physical chemistry chemical physics : PCCP |
| 22579810 | 2012-09-01 | Investigation of 2,6-diisopropylphenol (propofol)-evoked Ca2+ movement and cell death in human glioblastoma cells | Toxicology in vitro : an international journal published in association with BIBRA |
| 22480511 | 2012-05-15 | Carvacrol-induced [Ca2+]i rise and apoptosis in human glioblastoma cells | Life sciences |
| 21995587 | 2012-04-01 | 3,3'-Diindolylmethane alters Ca2+ homeostasis and viability in MG63 human osteosarcoma cells | Basic & clinical pharmacology & toxicology |
| 22425810 | 2012-03-01 | Effect of m-3m3FBS on Ca2+ handling and viability in OC2 human oral cancer cells | Acta physiologica Hungarica |
| 21982847 | 2012-02-01 | A porous Cu/LDPE composite for copper-containing intrauterine contraceptive devices | Acta biomaterialia |
| 21903454 | 2011-12-01 | FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular conformational analysis of 2,5-di-tert-butyl-hydroquinone | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
